(3R,4S)-3-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: (3R,4S)-3-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylic acid Openeye Name: (3R,4S)-3-methyl-4-phenyl-1-(p-tolylsulfonyl)piperidine-4-carboxylic acid CAS Name: (3R,4S)-3-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: (3R,4S)-3-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid Traditional Name: (3R,4S)-3-methyl-4-phenyl-1-tosyl-isonipecotic acid Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1CN(CC[C@]1(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H23NO4S/c1-15-8-10-18(11-9-15)26(24,25)21-13-12-20(19(22)23,16(2)14-21)17-6-4-3-5-7-17/h3-11,16H,12-14H2,1-2H3,(H,22,23)/t16-,20-/m0/s1